2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid

C14H17N3O3S — CID 43521719

IUPAC2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C14H17N3O3S/c18-13(19)9-17-5-3-16(4-6-17)8-11-10-21-14(15-11)12-2-1-7-20-12/h1-2,7,10H,3-6,8-9H2,(H,18,19)
InChIKeyIRLUBVGOFSGCFW-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid

2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid (PubChem CID 43521719) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
PubChem CID43521719
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C14H17N3O3S/c18-13(19)9-17-5-3-16(4-6-17)8-11-10-21-14(15-11)12-2-1-7-20-12/h1-2,7,10H,3-6,8-9H2,(H,18,19)
InChIKeyIRLUBVGOFSGCFW-UHFFFAOYSA-N
XLogP1.61
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 134033856
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489708
(4-fluorophenyl)-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 134001270
N-cyclopropyl-2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanamide
CID 51339316
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085
4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide
CID 78877693

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid (CID 43521719) is 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(Cc2csc(-c3ccco3)n2)CC1.
What is the InChIKey of 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid?
The InChIKey is IRLUBVGOFSGCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-13(19)9-17-5-3-16(4-6-17)8-11-10-21-14(15-11)12-2-1-7-20-12/h1-2,7,10H,3-6,8-9H2,(H,18,19).
What are the key properties of 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid?
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid has a molecular weight of 307.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).